COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL528543
Chemical Name: 1-(2,5-dimethoxyphenyl)-6-hydroxy-5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl)-4-oxo-1,4-dihydropyrimidine-2-thiolate
Smiles: COc1ccc(c(c1)n1c([S-])nc(=O)c(c1O)C1[NH+](C)CCc2c1c(OC)c1c(c2)OCO1)OC

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Molecular Weight: 499.54
Empirical Formula: C24H25N3O7S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.284
Rotatable bonds: 5
H-donors: 2
H-acceptors: 7
PSA: 103
Number of rings: 5

     

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